Hi Even for CentOS the procedure is same, first locate fftw3.f file by running locate fftw3.f (in terminal)
=== sample output ==== /export/apps/fftw3/intel/float/include/fftw3.f /export/apps/intel/Compiler/11.1/069/mkl/include/fftw/fftw3.f /export/apps/intel/Compiler/11.1/073/mkl/include/fftw/fftw3.f So my fftw3.f is located in /export/apps/fftw3/intel/float/include (if available, you can try the intel version as well), now change your IFLAGS in make.sys file and it should look like IFLAGS = -I../include -I/export/apps/fftw3/intel/float/include And if it doesn't work the copy and paste the fftw3.f file in FFTXlib folder in espresso-5.3.0. If you can't locate fftw3.f then you will have to ask your sysadmin either to locate or install the same. Surender Kumar PS : Both options worked for me (Cluster with CentOS release 5.4) > Hi surender > my OS is centOS. > > Thanks. > Tushar > > *Tushar Gupta.* > > On Thu, Feb 11, 2016 at 2:19 AM, Surender <[email protected]> > wrote: > >> Hi Tushar, >> >> You didn't mentions your OS so I assume its Ubuntu and you have already >> installed "libfftw3-dev" package. Now you can try the following, first >> find out the location of "fftw3.f" and then add it to your IFLAGS in >> "make.sys" file. For Ubuntu 12.04 LTS this file is located in >> "/usr/include/". After adding to IFLAGS, it should look like >> >> IFLAGS = -I../include -I/usr/include/ >> >> If above doesn't work, then try to copy the file into FFTXlib folder >> located in your main QE directory and have look at the discussion >> http://www.mail-archive.com/pw_forum%40pwscf.org/msg27600.html >> >> HTH >> Surender Kumar >> >> > Dear all, >> > >> > I am a novice to this field of computational studies and i am trying >> to >> > install quantum espresso version 5.3.0 in linux so as I run the >> > configuration file I am getting an error which says unable to find a >> > fftw3.f file. I am unable to figure out what to do next. >> > I will be even more grateful if any body could suggest me a good >> reference >> > so that I can clear my basics in this field of computational studies >> > particularly with this quantum espresso. >> > Please try to respond in a simplest manner possible. >> > >> > >> > Thanks and Regards: >> > *Tushar Gupta.* >> > _______________________________________________ >> > Pw_forum mailing list >> > [email protected] >> > http://pwscf.org/mailman/listinfo/pw_forum >> >> >> _______________________________________________ >> Pw_forum mailing list >> [email protected] >> http://pwscf.org/mailman/listinfo/pw_forum >> > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
